rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-en-3-yl acetate
Chemical Structure Depiction of
rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-en-3-yl acetate
rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-en-3-yl acetate
Compound characteristics
| Compound ID: | N066-0054 |
| Compound Name: | rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-en-3-yl acetate |
| Molecular Weight: | 468.77 |
| Molecular Formula: | C32 H52 O2 |
| Smiles: | CC(=C)C1CCC2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@](C)(C)C5CC[C@@]34C)OC(C)=O)C12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.918 |
| logD: | 7.918 |
| logSw: | -5.9868 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.6868 |
| InChI Key: | ODSSDTBFHAYYMD-UQSZBQTISA-N |